Calcium (S)-3-(4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)hex-4-ynoate dihydrate
Molecular Structure
Pricing & Availability
Specifications
| Catalog No. | RY098888 |
| CAS No. | 1259389-38-2 |
| Molecular Formula | - |
| Molecular Weight | - |
| Purity | 99% |
| SMILES | CC#C[C@@](C1=CC=C(C=C1)OCC2=CC(C3=CC=C(C=C3)C(F)(F)F)=CC=C2)([H])CC([O-])=O.CC#C[C@@](C4=CC=C(C=C4)OCC5=CC(C6=CC=C(C=C6)C(F)(F)F)=CC=C5)([H])CC([O-])=O.[H]O[H].[H]O[H].[Ca+2] |
| MDL Number | MFCD28167803 |
| Category | building-blocks |
| Availability | In Stock |
Synonyms & Alternative Names
Product Description
Calcium (S)-3-(4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)hex-4-ynoate dihydrate (CAS 1259389-38-2) is a high-quality chemical intermediate offered by Raynchem for pharmaceutical, agrochemical, and material science research. The SMILES notation for Calcium (S)-3-(4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)hex-4-ynoate dihydrate is CC#C[C@@](C1=CC=C(C=C1)OCC2=CC(C3=CC=C(C=C3)C(F)(F)F)=CC=C2)([H])CC([O-])=O.CC#C[C@@](C4=CC=C(C=C4)OCC5=CC(C6=CC=C(C=C6)C(F)(F)F)=CC=C5)([H])CC([O-])=O.[H]O[H].[H]O[H].[Ca+2], representing its complete molecular connectivity for computational chemistry and cheminformatics applications. Our Calcium (S)-3-(4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)hex-4-ynoate dihydrate is available with a guaranteed purity of 99%, ensuring consistent and reliable results for your R&D and production needs. Each batch is accompanied by a Certificate of Analysis (COA) verifying identity, purity, and quality. Raynchem provides worldwide fast shipping, competitive pricing, and comprehensive technical support. COA and SDS documents are available upon request. Contact us today for bulk quantities and custom synthesis inquiries.
Applications
- ●Pharmaceutical Intermediate Synthesis: Calcium (S)-3-(4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)hex-4-ynoate dihydrate (CAS 1259389-38-2) serves as a versatile building block in the synthesis of active pharmaceutical ingredients (APIs), enabling the construction of complex molecular architectures through palladium-catalyzed cross-coupling reactions such as Suzuki, Buchwald-Hartwig, and Heck reactions.
- ●Agrochemical Development: This compound is utilized in the preparation of novel agrochemical agents, including herbicides, insecticides, and fungicides, where its halogenated aromatic structure provides key reactivity for further functionalization.
- ●Material Science Research: Calcium (S)-3-(4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)hex-4-ynoate dihydrate is employed in the development of organic electronic materials, coordination polymers, and functional dyes, where its aromatic amine moiety contributes to optoelectronic properties.
- ●Fine Chemical Manufacturing: Calcium (S)-3-(4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)hex-4-ynoate dihydrate is suitable for scale-up from milligram to kilogram quantities, supporting both early-stage discovery and late-stage production needs.
Safety & Handling
Hazard Information
- !Calcium (S)-3-(4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)hex-4-ynoate dihydrate may cause mild irritation to skin, eyes, and respiratory tract.
- !Handle with standard laboratory precautions.
Precautionary Measures
- ✓Wear appropriate personal protective equipment (PPE): chemical-resistant gloves, safety goggles, and laboratory coat.
- ✓Work in a well-ventilated fume hood when handling Calcium (S)-3-(4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)hex-4-ynoate dihydrate.
- ✓Avoid direct contact with skin, eyes, and clothing. Do not breathe dust, vapors, or aerosols.
- ✓Wash hands thoroughly after handling. Remove contaminated clothing before reuse.
This information is provided as a general guide. Always consult the Safety Data Sheet (SDS) for complete safety information before handling.
Storage & Stability
- ●Calcium (S)-3-(4-((4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methoxy)phenyl)hex-4-ynoate dihydrate should be stored in a cool, dry place away from direct sunlight and moisture.
- ●Keep the container tightly sealed when not in use to prevent degradation and contamination.
- ●Store separately from incompatible materials such as strong oxidizing agents, acids, and bases.
- ●Under proper storage conditions, the shelf life of this product is typically 24 months from the date of manufacture.